ChemDiv1_010811
tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate
Also Known As: ChemDiv1_010811|Oprea1_198503|HMS617L09|AG-205/11316049|tert-butyl [(3-cyano-6-methyl-4-thien-2-yl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]acetate|tert-butyl {[3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]sulfanyl}acetate|tert-butyl 2-((3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)acetate|tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12317 g/mol |
| LogP | 4.10348 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.12317 |
| Monoisotopic Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 880.10736 |
Chemical Identifiers
| CAS Number | 339583-41-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=NC2=C(CN(CC2)C)C(=C1C#N)C3=CC=CS3 |
Product Overview
ChemDiv1_010811 (CAS 339583-41-4), with molecular formula C20H23N3O2S2 and molecular weight 401.12317 g/mol. IUPAC: tert-butyl 2-[(3-cyano-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate.
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